N-(azetidin-3-yl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide

C11H24N2O2S — CID 103521480

IUPACN-(azetidin-3-yl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide
SMILESCCN(C1CNC1)S(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H24N2O2S/c1-5-13(10-8-12-9-10)16(14,15)7-6-11(2,3)4/h10,12H,5-9H2,1-4H3
InChIKeyVVCWARFQGQRXNM-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.05
Rot. Bonds5

About N-(azetidin-3-yl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide

N-(azetidin-3-yl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103521480) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide
PubChem CID103521480
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-(azetidin-3-yl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide
SMILESCCN(C1CNC1)S(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H24N2O2S/c1-5-13(10-8-12-9-10)16(14,15)7-6-11(2,3)4/h10,12H,5-9H2,1-4H3
InChIKeyVVCWARFQGQRXNM-UHFFFAOYSA-N
XLogP1.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-ethyl-N-piperidin-4-ylethanesulfonamide
CID 63246667
N-cyclopropyl-3,3-dimethyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide
CID 106631277
N-(azetidin-3-yl)-N-ethylcyclopentanesulfonamide
CID 105361419
N-ethyl-N-piperidin-3-yl-2-propan-2-yloxyethanesulfonamide
CID 79594528
3-[cyclopropyl(3,3-dimethylbutylsulfonyl)amino]propanethioamide
CID 103521184
N-(azetidin-3-yl)-1-(4-cyanophenyl)-N-ethylmethanesulfonamide
CID 66183203
N-(diethylsulfamoyl)-N-propylazetidin-3-amine
CID 66214667
4-[ethyl(piperidin-3-yl)sulfamoyl]butanoic acid
CID 63638842
N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide
CID 66184477
N-(azetidin-3-yl)-N-ethyl-4-iodobenzenesulfonamide
CID 66183635
N-(azetidin-3-yl)-N-ethyl-2,5-dimethylthiophene-3-sulfonamide
CID 66181491
3-[tert-butylsulfamoyl(ethyl)amino]piperidine
CID 114805078

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(azetidin-3-yl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide (CID 103521480) is N-(azetidin-3-yl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide is CCN(C1CNC1)S(=O)(=O)CCC(C)(C)C.
What is the InChIKey of N-(azetidin-3-yl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is VVCWARFQGQRXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-5-13(10-8-12-9-10)16(14,15)7-6-11(2,3)4/h10,12H,5-9H2,1-4H3.
What are the key properties of N-(azetidin-3-yl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide?
N-(azetidin-3-yl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103521480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).